N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide

C8H13N3O4S — CID 114810209

IUPACN-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)NC1CC1
InChIInChI=1S/C8H13N3O4S/c1-5-8(13)9-7(12)4-11(5)16(14,15)10-6-2-3-6/h5-6,10H,2-4H2,1H3,(H,9,12,13)
InChIKeyRGSCYOREOWBZIR-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.67
Rot. Bonds3

About N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide

N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide (PubChem CID 114810209) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide
PubChem CID114810209
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC NameN-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)NC1CC1
InChIInChI=1S/C8H13N3O4S/c1-5-8(13)9-7(12)4-11(5)16(14,15)10-6-2-3-6/h5-6,10H,2-4H2,1H3,(H,9,12,13)
InChIKeyRGSCYOREOWBZIR-UHFFFAOYSA-N
XLogP-1.67
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethylsulfonyl)-3-methylpiperazine-2,6-dione
CID 66076429
3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione
CID 66063734
4-(benzenesulfonyl)-3-methylpiperazine-2,6-dione
CID 66062559
4-(1,1-dioxothian-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
CID 66062767
methyl 4-(2-methyl-3,5-dioxopiperazin-1-yl)sulfonylbutanoate
CID 66061324
3-methyl-4-(4,4,4-trifluorobutylsulfonyl)piperazine-2,6-dione
CID 83058096
4-(4-amino-3-bromophenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 66063444
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione
CID 113383253
3-methyl-4-(2-pyridin-2-ylethylsulfonyl)piperazine-2,6-dione
CID 66062199
2-[(2-methyl-3,5-dioxopiperazin-1-yl)sulfonylmethyl]benzonitrile
CID 66062183
4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione
CID 66074501
4-(4-bromo-3-methylphenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 66063719

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide (CID 114810209) is N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide is CC1C(=O)NC(=O)CN1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide?
The InChIKey is RGSCYOREOWBZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-5-8(13)9-7(12)4-11(5)16(14,15)10-6-2-3-6/h5-6,10H,2-4H2,1H3,(H,9,12,13).
What are the key properties of N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide?
N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide has a molecular weight of 247.28 g/mol, XLogP of -1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-3,5-dioxopiperazine-1-sulfonamide is sourced from PubChem (CID 114810209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).